2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide

C24H22ClN3O3S — CID 6876832

IUPAC2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
SMILESO=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22ClN3O3S/c25-20-10-6-19(7-11-20)16-32-17-24(30)28-26-14-18-8-12-22(13-9-18)31-15-23(29)27-21-4-2-1-3-5-21/h1-14H,15-17H2,(H,27,29)(H,28,30)/b26-14+
InChIKeyAZCDZRAYTSMSSH-VULFUBBASA-N
MW467.98 g/mol
LogP4.74
Rot. Bonds10

About 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide

2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide (PubChem CID 6876832) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
PubChem CID6876832
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC Name2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
SMILESO=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22ClN3O3S/c25-20-10-6-19(7-11-20)16-32-17-24(30)28-26-14-18-8-12-22(13-9-18)31-15-23(29)27-21-4-2-1-3-5-21/h1-14H,15-17H2,(H,27,29)(H,28,30)/b26-14+
InChIKeyAZCDZRAYTSMSSH-VULFUBBASA-N
XLogP4.74
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide (CID 6876832) is 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide is O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide?
The InChIKey is AZCDZRAYTSMSSH-VULFUBBASA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c25-20-10-6-19(7-11-20)16-32-17-24(30)28-26-14-18-8-12-22(13-9-18)31-15-23(29)27-21-4-2-1-3-5-21/h1-14H,15-17H2,(H,27,29)(H,28,30)/b26-14+.
What are the key properties of 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide?
2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide has a molecular weight of 467.98 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 6876832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).